REMARK  Name = BDB014306
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.686  -1.280   2.849  0.00  0.00    +0.146 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.562  -2.114   1.935  0.00  0.00    +0.011 A 
ATOM      3  C   LIG    1       -2.827  -1.676   1.500  0.00  0.00    +0.125 A 
ATOM      4  C   LIG    1       -3.586  -2.505   0.663  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -3.097  -3.748   0.253  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -1.844  -4.178   0.672  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.081  -3.367   1.508  0.00  0.00    +0.009 A 
BRANCH   3   8
ATOM      8  O   LIG    1       -3.216  -0.436   1.933  0.00  0.00    -0.492 OA
BRANCH   8   9
ATOM      9  C   LIG    1       -4.521   0.046   1.610  0.00  0.00    +0.229 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -4.548   0.723   0.237  0.00  0.00    +0.041 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -3.671   1.979   0.198  0.00  0.00    +0.004 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -3.603   2.629  -1.190  0.00  0.00    +0.011 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -2.802   1.832  -2.224  0.00  0.00    +0.120 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -1.324   1.775  -1.905  0.00  0.00    +0.305 C 
ATOM     15  O   LIG    1       -0.731   2.553  -1.175  0.00  0.00    -0.251 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -0.690   0.764  -2.542  0.00  0.00    -0.481 OA
ATOM     17  H   LIG    1       -1.273   0.220  -3.106  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   3   8
ENDBRANCH   1   2
BRANCH   1  19
ATOM     18  C   LIG    1       -0.007   0.657   1.454  0.00  0.00    +0.132 C 
ATOM     19  N   LIG    1        0.371  -0.580   2.123  0.00  0.00    -0.296 N 
ATOM     20  C   LIG    1        1.620  -1.188   2.020  0.00  0.00    +0.247 C 
ATOM     21  O   LIG    1        1.955  -2.168   2.685  0.00  0.00    -0.270 OA
BRANCH  20  22
ATOM     22  C   LIG    1        2.615  -0.654   1.061  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1        2.310  -0.511  -0.294  0.00  0.00    +0.014 A 
ATOM     24  C   LIG    1        3.283  -0.034  -1.179  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1        4.576   0.285  -0.733  0.00  0.00    +0.017 A 
ATOM     26  C   LIG    1        4.872   0.106   0.628  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1        3.902  -0.366   1.520  0.00  0.00    +0.014 A 
BRANCH  25  28
ATOM     28  C   LIG    1        5.596   0.781  -1.655  0.00  0.00    +0.135 A 
ATOM     29  O   LIG    1        5.239   0.859  -2.975  0.00  0.00    -0.463 OA
ATOM     30  C   LIG    1        6.309   1.335  -3.660  0.00  0.00    +0.196 A 
ATOM     31  C   LIG    1        7.360   1.569  -2.807  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1        6.902   1.212  -1.514  0.00  0.00    +0.050 A 
ENDBRANCH  25  28
ENDBRANCH  20  22
ENDBRANCH   1  19
TORSDOF 12